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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224864

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1224864
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Ga', 'Ag', 'Se', 'S']
  • Chemical System: Ag-Ga-S-Se
  • Density: 5.217715597255709
  • Atomic Density: 0.04027615872423489
  • Unit Cell Volume: 198.62867396999943
  • Molar Volume: 14.952122920243557
  • Full Formula: Ga2 Ag2 Se3 S1
  • Reduced Formula: Ga2Ag2Se3S
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -31.97026998
  • Final energy per atom: -3.9962837475
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.